N-[3-bicyclo[3.1.0]hexanyl-(3-ethylcyclohexyl)methyl]ethanamine

C17H31N — CID 104992333

IUPACN-[3-bicyclo[3.1.0]hexanyl-(3-ethylcyclohexyl)methyl]ethanamine
SMILESCCNC(C1CCCC(CC)C1)C1CC2CC2C1
InChIInChI=1S/C17H31N/c1-3-12-6-5-7-13(8-12)17(18-4-2)16-10-14-9-15(14)11-16/h12-18H,3-11H2,1-2H3
InChIKeyBLPMLCNSIWLSMN-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.23
Rot. Bonds5

About N-[3-bicyclo[3.1.0]hexanyl-(3-ethylcyclohexyl)methyl]ethanamine

N-[3-bicyclo[3.1.0]hexanyl-(3-ethylcyclohexyl)methyl]ethanamine (PubChem CID 104992333) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is N-[3-bicyclo[3.1.0]hexanyl-(3-ethylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[3-bicyclo[3.1.0]hexanyl-(3-ethylcyclohexyl)methyl]ethanamine
PubChem CID104992333
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC NameN-[3-bicyclo[3.1.0]hexanyl-(3-ethylcyclohexyl)methyl]ethanamine
SMILESCCNC(C1CCCC(CC)C1)C1CC2CC2C1
InChIInChI=1S/C17H31N/c1-3-12-6-5-7-13(8-12)17(18-4-2)16-10-14-9-15(14)11-16/h12-18H,3-11H2,1-2H3
InChIKeyBLPMLCNSIWLSMN-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[3-bicyclo[3.1.0]hexanyl-(3-ethylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[3-bicyclo[3.1.0]hexanyl-(3-ethylcyclohexyl)methyl]ethanamine (CID 104992333) is N-[3-bicyclo[3.1.0]hexanyl-(3-ethylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[3-bicyclo[3.1.0]hexanyl-(3-ethylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[3-bicyclo[3.1.0]hexanyl-(3-ethylcyclohexyl)methyl]ethanamine is CCNC(C1CCCC(CC)C1)C1CC2CC2C1.
What is the InChIKey of N-[3-bicyclo[3.1.0]hexanyl-(3-ethylcyclohexyl)methyl]ethanamine?
The InChIKey is BLPMLCNSIWLSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-3-12-6-5-7-13(8-12)17(18-4-2)16-10-14-9-15(14)11-16/h12-18H,3-11H2,1-2H3.
What are the key properties of N-[3-bicyclo[3.1.0]hexanyl-(3-ethylcyclohexyl)methyl]ethanamine?
N-[3-bicyclo[3.1.0]hexanyl-(3-ethylcyclohexyl)methyl]ethanamine has a molecular weight of 249.44 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bicyclo[3.1.0]hexanyl-(3-ethylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 104992333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).